1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid
TL;DR: 1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid (CAS 41600-42-4) is a chemical compound with molecular formula C8H7NO5 and molecular weight 197.03242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-4-oxopyridine-2,6-dicarboxylic acid
Also Known As: 1-methyl-4-oxopyridine-2,6-dicarboxylic acid, 1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid, 1-METHYL-4-OXO-PYRIDINE-2,6-DICARBOXYLIC ACID, 2,6-Pyridinedicarboxylicacid, 1,4-dihydro-1-methyl-4-oxo-, 2,6-Pyridinedicarboxylicacid,1,4-dihydro-1-methyl-4-oxo
Technical Specifications
| Molecular Formula | C8H7NO5 |
| Molecular Weight | 197.03242 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 94.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.03242 Da |
| Heavy Atoms | 14 |
| Complexity | 345.0 |
| SMILES | CN1C(=CC(=O)C=C1C(=O)O)C(=O)O |
| InChIKey | QUNFDTYCFVEXMA-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid
Property Insights of 1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid
The XLogP value of -0.2 indicates that 1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid. Following Lipinski's Rule of Five, 1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid?
The CAS number of 1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid is 41600-42-4.
What is the molecular formula of 1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid?
The molecular formula of 1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid is C8H7NO5.
What is the molecular weight of 1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid?
The molecular weight of 1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid is 197.03242 g/mol.
Where can I buy 1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid?
You can request a quote for 1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.